CID 44628060

2-chloro-6-nitrobenzene-1-sulfonamide

Structural Information

Molecular Formula
C6H5ClN2O4S
SMILES
C1=CC(=C(C(=C1)Cl)S(=O)(=O)N)[N+](=O)[O-]
InChI
InChI=1S/C6H5ClN2O4S/c7-4-2-1-3-5(9(10)11)6(4)14(8,12)13/h1-3H,(H2,8,12,13)
InChIKey
ACUFLNWNUQBRFN-UHFFFAOYSA-N
Compound name
2-chloro-6-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

235.96585 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.973126 141.5
[M+Na]+ 258.955068 150.3
[M-H]- 234.958574 145.4
[M+NH4]+ 253.999673 159.1
[M+K]+ 274.929008 142.2
[M+H-H2O]+ 218.963110 141.6
[M+HCOO]- 280.964051 157.6
[M+CH3COO]- 294.979701 179.9
[M+Na-2H]- 256.940516 148.0
[M]+ 235.96530142 142.4
[M]- 235.96639858 142.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe